3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one

C17H18N2O3 — CID 86853717

IUPAC3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H18N2O3/c20-16(19-9-7-18(8-10-19)13-5-6-13)14-11-12-3-1-2-4-15(12)22-17(14)21/h1-4,11,13H,5-10H2
InChIKeyINYUXEGPGCIVOL-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.71
Rot. Bonds2

About 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one

3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 86853717) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
PubChem CID86853717
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H18N2O3/c20-16(19-9-7-18(8-10-19)13-5-6-13)14-11-12-3-1-2-4-15(12)22-17(14)21/h1-4,11,13H,5-10H2
InChIKeyINYUXEGPGCIVOL-UHFFFAOYSA-N
XLogP1.71
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]chromen-2-one
CID 39572437
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
3-(4-propanoyl-1,4-diazepane-1-carbonyl)chromen-2-one
CID 110805717
3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride
CID 119999362
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one
CID 19132809
3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one
CID 102136563

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one (CID 86853717) is 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is INYUXEGPGCIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(19-9-7-18(8-10-19)13-5-6-13)14-11-12-3-1-2-4-15(12)22-17(14)21/h1-4,11,13H,5-10H2.
What are the key properties of 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one?
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 298.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 86853717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).